Asp-Cys-Val

Properties Image MNX_ID MNXM1123075 reference chebi:160475 formula C12H21N3O6S global charge 0 mol weight 335.382 InChIKey PJERDVUTUDZPGX-ZKWXMUAHSA-N InChI InChI=1S/C12H21N3O6S/c1-5(2)9(12(20)21)15-11(19)7(4-22)14-10(18)6(13)3-8(16)17/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O6S/c1-5(2)9(12(20)21)15-11(19)7(4-22)14-10(18)6(13)3-8(16)17/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:12](=[O:20])[OH:21])[N:15]=[C:11]([C@H:7]([CH2:4][SH:22])[N:14]=[C:10]([C@H:6]([CH2:3][C:8](=[O:16])[OH:17])[NH2:13])[OH:18])[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0